1-hexyl-8-iodanyl-3-methyl-7-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 1-hexyl-8-iodanyl-3-methyl-7-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 1-hexyl-8-iodo-3-methyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 1-hexyl-8-iodo-3-methyl-7-(5-oxohexyl)purine-2,6-dione IUPAC Name: 1-hexyl-8-iodo-3-methyl-7-(5-oxohexyl)purine-2,6-dione Traditional Name: 1-hexyl-8-iodo-7-(5-ketohexyl)-3-methyl-xanthine Formula: C18H27IN4O3 MolecularWeight: 474.33645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2CCCCC(=O)C)I)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2CCCCC(=O)C)I)N(C1=O)C

InChI

InChI=1S/C18H27IN4O3/c1-4-5-6-8-12-23-16(25)14-15(21(3)18(23)26)20-17(19)22(14)11-9-7-10-13(2)24/h4-12H2,1-3H3